CID 79475050

Methyl 2-{[1,3]thiazolo[4,5-c]pyridin-2-yl}acetate

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
COC(=O)CC1=NC2=C(S1)C=CN=C2
InChI
InChI=1S/C9H8N2O2S/c1-13-9(12)4-8-11-6-5-10-3-2-7(6)14-8/h2-3,5H,4H2,1H3
InChIKey
KOSIDCYEHYGUMB-UHFFFAOYSA-N
Compound name
methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 141.0
[M+Na]+ 231.01987 152.4
[M-H]- 207.02337 144.1
[M+NH4]+ 226.06447 161.2
[M+K]+ 246.99381 149.7
[M+H-H2O]+ 191.02791 134.7
[M+HCOO]- 253.02885 159.8
[M+CH3COO]- 267.04450 182.1
[M+Na-2H]- 229.00532 145.7
[M]+ 208.03010 147.3
[M]- 208.03120 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.